5-(4-(Diethylamino)phenyl)-5-ethylbarbituric acid
Basic information
- CAS
3038-25-3- Standard SMILES
CCN(CC)c1ccc(C2(CC)C(=O)NC(=O)NC2=O)cc1- InChIKey
CKCSVBLIFTUCFH-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.15829154
Names & identifiers
- Preferred name
- 5-(4-(Diethylamino)phenyl)-5-ethylbarbituric acid
- IUPAC
- 5-[4-(diethylamino)phenyl]-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-[4-(diethylamino)phenyl]-5-ethylbarbituric acid
- Molecular formula
- C16H21N3O3
- Molecular weight
- 303.36
Names & synonyms
3038-25-35-(4-(Diethylamino)phenyl)-5-ethylbarbituric acid5-[4-(DIETHYLAMINO)PHENYL]-5-ETHYLBARBITURIC ACIDEINECS 221-238-35-[4-(diethylamino)phenyl]-5-ethyl-1,3-diazinane-2,4,6-trioneDTXSID80184458CKCSVBLIFTUCFH-UHFFFAOYSA-NNS000289155-[4-(Diethylamino)phenyl]-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[4-(diethylamino)phenyl]-5-ethyl-
Database identifiers
- CAS
3038-25-3- PubChem CID
- 76434
- DTXSID
DTXSID80184458- EC Number
- 221-238-3
- Nikkaji
- J205.345D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 235 · 235-236 °C
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 7.79 · 7.79±0.10(Predicted)
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Compound notes
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